Materials Data on Th(NiP)2 by Materials Project

doi:10.17188/1262395

Title: Materials Data on Th(NiP)2 by Materials Project

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Abstract

Th(NiP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.07 Å) and four longer (3.09 Å) Th–P bond lengths. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.29 Å) and one longer (2.34 Å) Ni–P bond lengths. In the second Ni1+ site, Ni1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.36 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to four equivalent Th4+ and five Ni1+ atoms. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Ni1+ atoms.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-505249

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ni-P-Th; Th(NiP)2; crystal structure

OSTI Identifier:: 1262395

DOI:: https://doi.org/10.17188/1262395

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                    Materials Data on Th(NiP)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262395.

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                    Materials Data on Th(NiP)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262395

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                    2020.  
"Materials Data on Th(NiP)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262395.  https://www.osti.gov/servlets/purl/1262395. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1262395,

  title        = {Materials Data on Th(NiP)2 by Materials Project},

  
  abstractNote = {Th(NiP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.07 Å) and four longer (3.09 Å) Th–P bond lengths. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.29 Å) and one longer (2.34 Å) Ni–P bond lengths. In the second Ni1+ site, Ni1+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing NiP4 tetrahedra. All Ni–P bond lengths are 2.36 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 5-coordinate geometry to four equivalent Th4+ and five Ni1+ atoms. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Ni1+ atoms.},

  doi          = {10.17188/1262395},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1262395

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Materials Data on Th(NiP)2 by Materials Project

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